Monomers

4-(4-Methoxyphenyl)-1-butene

Identifiers

IUPAC name
1-but-3-enyl-4-methoxybenzene
InchI
InChI=1S/C11H14O/c1-3-4-5-10-6-8-11(12-2)9-7-10/h3,6-9H,1,4-5H2,2H3
InchI Key
CLTMQCGFHLPTBB-UHFFFAOYSA-N
SMILES
COc1ccc(cc1)CCC=C
Canonical SMILES
COC1=CC=C(C=C1)CCC=C
Isomeric SMILES
COC1=CC=C(C=C1)CCC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H14O
Heavy Atom Count
12
Molecular Weight
162.232
Exact Molecular Weight
162.1045
Valence Electrons
64
Radical Electrons
0
tPSA
9.23
MolLogP
2.8138
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 26 26  0  0  0  0  0  0  0  0999 V2000
   -4.5918    1.1071    0.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9098    0.0965   -0.5042 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5695   -0.1630   -0.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8861   -1.1526   -0.9451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5503   -1.4060   -0.7098 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1599   -0.6666    0.2208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5314    0.3216    0.8888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8721    0.5814    0.6578 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6086   -0.9336    0.4832 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4104   -0.0648   -0.4678 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8556   -0.2335   -0.3114 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6524    0.7771    0.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1582    2.0973   -0.0952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6748    1.0666    0.0930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3728    0.9963    1.2902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4088   -1.7636   -1.6915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0045   -2.1889   -1.2397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0040    0.9121    1.6181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    1.3690    1.2087 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8122   -0.6646    1.5295 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8642   -1.9822    0.2409 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1223   -0.3531   -1.5143 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1525    1.0006   -0.3651 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2998   -1.2083   -0.4671 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7149    0.6729    0.1381 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2509    1.7823    0.1868 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  3
  8  3  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  4 16  1  0
  5 17  1  0
  7 18  1  0
  8 19  1  0
  9 20  1  0
  9 21  1  0
 10 22  1  0
 10 23  1  0
 11 24  1  0
 12 25  1  0
 12 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers